UCSF

ZINC29554609

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 3.28 -54.25 4 6 1 97 356.398 8
Hi High (pH 8-9.5) 1.93 1.8 -15.13 3 6 0 92 355.39 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )